SCHEMBL8714213

SCHEMBL8714213

COc1ccc(CCCCCCCC(=O)O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CNR1 P21554 4/20 0.53
TSHR P16473 1/20 0.52
LTB4R Q15722 1/20 0.52
HSD17B10 Q99714 1/20 0.51
F13A1 P00488 3/20 0.50
CNR2 P34972 2/20 0.49
PDE4B Q07343 1/20 0.48
APLNR P35414 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10767355 1.00 POLB (0.56) POLBCNR1TSHRLTB4RHSD17B10
SCHEMBL4419943 0.98 POLB (0.57) POLBCNR1TSHRLTB4RHSD17B10
SCHEMBL27788117 0.95 POLB (0.60) POLBCNR1TSHRHSD17B10CNR2
SCHEMBL8708565 0.88 MTNR1A (0.58) CNR1TSHRCNR2APLNRMEN1
SCHEMBL490637 0.88 POLB (0.71) POLBHSD17B10APLNRALDH1A1
SCHEMBL8432044 0.87 CNR1 (0.54) CNR1TSHRLTB4RCNR2MEN1
SCHEMBL8428449 0.87 CNR1 (0.54) CNR1TSHRLTB4RCNR2MEN1
SCHEMBL27621740 0.87 HSD17B10 (0.65) POLBLTB4RHSD17B10
SCHEMBL11433418 0.85 HSD17B10 (0.67) POLBHSD17B10
SCHEMBL8428045 0.84 CNR2 (0.57) CNR1TSHRLTB4RCNR2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H10316641-A CARBOXYLIC ACID DERIVATIVE SANKYO CO LTD 1998-12-02 JP disclosed
JP-10316641-A 0001-01-01 JP disclosed